CID 216785

Dtxsid80958757

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC1CC(N=C(O1)NC2=CC=CC=C2)(C)C
InChI
InChI=1S/C13H18N2O/c1-10-9-13(2,3)15-12(16-10)14-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,15)
InChIKey
TVTFIOPMAAZGFA-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.1
[M+Na]+ 241.131118 157.4
[M-H]- 217.134624 156.2
[M+NH4]+ 236.175723 167.9
[M+K]+ 257.105058 155.8
[M+H-H2O]+ 201.139160 142.5
[M+HCOO]- 263.140101 171.1
[M+CH3COO]- 277.155751 190.3
[M+Na-2H]- 239.116566 157.6
[M]+ 218.14135142 148.9
[M]- 218.14244858 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe